N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine

C9H16N2O — CID 59908783

IUPACN-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
SMILESC=CC[C@H]1CCCCC(NO)=N1
InChIInChI=1S/C9H16N2O/c1-2-5-8-6-3-4-7-9(10-8)11-12/h2,8,12H,1,3-7H2,(H,10,11)/t8-/m0/s1
InChIKeyRXQQNAVBBYWQIB-QMMMGPOBSA-N
MW168.24 g/mol
LogP1.88
Rot. Bonds2

About N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine

N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine (PubChem CID 59908783) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
PubChem CID59908783
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
SMILESC=CC[C@H]1CCCCC(NO)=N1
InChIInChI=1S/C9H16N2O/c1-2-5-8-6-3-4-7-9(10-8)11-12/h2,8,12H,1,3-7H2,(H,10,11)/t8-/m0/s1
InChIKeyRXQQNAVBBYWQIB-QMMMGPOBSA-N
XLogP1.88
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexahydro-7-(2-propenyl)-1H-azepin-2-imine, monohydrochloride
CID 17777016
7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10702801
N-[2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
CID 18340019
N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
CID 23378564
N-(2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
CID 23378576
2-but-3-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 23378577
2-Prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine
CID 23378579
N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
CID 59924277
N-[2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine;hydrochloride
CID 90847888
N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine;hydrochloride
CID 91561163
2-Prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
CID 160226397
2-but-3-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 160242920

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
The IUPAC name of N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine (CID 59908783) is N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine.
What is the SMILES notation for N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
The canonical SMILES for N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine is C=CC[C@H]1CCCCC(NO)=N1.
What is the InChIKey of N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
The InChIKey is RXQQNAVBBYWQIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-8-6-3-4-7-9(10-8)11-12/h2,8,12H,1,3-7H2,(H,10,11)/t8-/m0/s1.
What are the key properties of N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine has a molecular weight of 168.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine is sourced from PubChem (CID 59908783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).