(NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine

C11H14N2O — CID 53326222

IUPAC(NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine
SMILESNC1CCc2ccccc2C/C1=N/O
InChIInChI=1S/C11H14N2O/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13-14/h1-4,10,14H,5-7,12H2/b13-11-
InChIKeyJSVRMGJPPBJNFY-QBFSEMIESA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds

About (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine

(NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine (PubChem CID 53326222) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine
PubChem CID53326222
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine
SMILESNC1CCc2ccccc2C/C1=N/O
InChIInChI=1S/C11H14N2O/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13-14/h1-4,10,14H,5-7,12H2/b13-11-
InChIKeyJSVRMGJPPBJNFY-QBFSEMIESA-N
XLogP1.33
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
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'}

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Related Compounds

7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 24975348
(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 71453803
(NZ)-N-(1-amino-1,3-dihydroinden-2-ylidene)hydroxylamine
CID 58684839
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 53322291
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
1-amino-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 64869017
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine (CID 53326222) is (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine is NC1CCc2ccccc2C/C1=N/O.
What is the InChIKey of (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine?
The InChIKey is JSVRMGJPPBJNFY-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14N2O/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13-14/h1-4,10,14H,5-7,12H2/b13-11-.
What are the key properties of (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine?
(NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine has a molecular weight of 190.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine is sourced from PubChem (CID 53326222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).