(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine

C11H17NO2 — CID 118460006

IUPAC(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine
SMILESCO[C@@H]1C[C@@H]2C/C(=N/O)C3(CC3)[C@@H]2C1
InChIInChI=1S/C11H17NO2/c1-14-8-4-7-5-10(12-13)11(2-3-11)9(7)6-8/h7-9,13H,2-6H2,1H3/b12-10-/t7-,8-,9-/m1/s1
InChIKeyNFRHXMGFRWAJIB-BQQHSKNKSA-N
MW195.26 g/mol
LogP2.04
Rot. Bonds1

About (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine

(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine (PubChem CID 118460006) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine
PubChem CID118460006
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine
SMILESCO[C@@H]1C[C@@H]2C/C(=N/O)C3(CC3)[C@@H]2C1
InChIInChI=1S/C11H17NO2/c1-14-8-4-7-5-10(12-13)11(2-3-11)9(7)6-8/h7-9,13H,2-6H2,1H3/b12-10-/t7-,8-,9-/m1/s1
InChIKeyNFRHXMGFRWAJIB-BQQHSKNKSA-N
XLogP2.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine with MolForge

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Related Compounds

1,3,5-trimethoxycyclohexane
CID 547415
4,6-dimethoxy-8-methylidenespiro[2.5]octane
CID 20632853
N-(1-ethoxyspiro[3.5]nonan-3-ylidene)hydroxylamine
CID 130617744
N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine
CID 15262063
(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine
CID 130755410
7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane
CID 154978917
methyl (3Z)-3-hydroxyimino-2,2-dimethylcyclobutane-1-carboxylate
CID 118162231
(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol
CID 59083995
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
2-methoxy-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 155006906
2-(3-methoxycyclobutyl)ethanamine
CID 106824044
2-amino-5-chloro-3-(3-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594845

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine (CID 118460006) is (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine is CO[C@@H]1C[C@@H]2C/C(=N/O)C3(CC3)[C@@H]2C1.
What is the InChIKey of (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine?
The InChIKey is NFRHXMGFRWAJIB-BQQHSKNKSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-8-4-7-5-10(12-13)11(2-3-11)9(7)6-8/h7-9,13H,2-6H2,1H3/b12-10-/t7-,8-,9-/m1/s1.
What are the key properties of (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine?
(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine has a molecular weight of 195.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine is sourced from PubChem (CID 118460006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).