(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine

C11H17NO — CID 44310974

IUPAC(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESC[C@@]12CCCCC1=C/C(=N/O)/CC2
InChIInChI=1S/C11H17NO/c1-11-6-3-2-4-9(11)8-10(12-13)5-7-11/h8,13H,2-7H2,1H3/b12-10+/t11-/m0/s1
InChIKeyMTUSIFHFRNIWPP-OCUQMRJBSA-N
MW179.26 g/mol
LogP2.70
Rot. Bonds

About (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine

(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine (PubChem CID 44310974) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
PubChem CID44310974
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESC[C@@]12CCCCC1=C/C(=N/O)/CC2
InChIInChI=1S/C11H17NO/c1-11-6-3-2-4-9(11)8-10(12-13)5-7-11/h8,13H,2-7H2,1H3/b12-10+/t11-/m0/s1
InChIKeyMTUSIFHFRNIWPP-OCUQMRJBSA-N
XLogP2.70
TPSA32.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity267

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
CID 6508017
2-(1-Cyclohexenyl)cyclohexanone oxime
CID 6104731
(NE)-N-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]hydroxylamine
CID 5375267
(NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine
CID 226065
(1Z)-3,5,5-trimethyl-2-cyclohexen-1-one oxime
CID 5354652
Verbenone oxime
CID 15214849
Menthenonoxim
CID 85857790
(NE)-N-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ylidene]hydroxylamine
CID 5348710
4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one oxime
CID 5772555
N-[1-[(4R)-4-methylcyclohexen-1-yl]ethylidene]hydroxylamine
CID 151501761
Menth-4-en-3-one oxime
CID 75089472
(e)-(+/-)-2-Methyl-5-(1-methyl ethyl)-2-cyclohexene-1-one oxime
CID 129658281

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine (CID 44310974) is (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine is C[C@@]12CCCCC1=C/C(=N/O)/CC2.
What is the InChIKey of (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
The InChIKey is MTUSIFHFRNIWPP-OCUQMRJBSA-N. The full InChI is InChI=1S/C11H17NO/c1-11-6-3-2-4-9(11)8-10(12-13)5-7-11/h8,13H,2-7H2,1H3/b12-10+/t11-/m0/s1.
What are the key properties of (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine is sourced from PubChem (CID 44310974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).