N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine

C15H17N3O — CID 142636548

IUPACN-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine
SMILESON=C1CCCN2CCC3C(=C12)N=C1C=CC=CC13
InChIInChI=1S/C15H17N3O/c19-17-13-6-3-8-18-9-7-11-10-4-1-2-5-12(10)16-14(11)15(13)18/h1-2,4-5,10-11,19H,3,6-9H2
InChIKeyPSMSFIJDXQDYTQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.34
Rot. Bonds

About N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine

N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine (PubChem CID 142636548) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine
PubChem CID142636548
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine
SMILESON=C1CCCN2CCC3C(=C12)N=C1C=CC=CC13
InChIInChI=1S/C15H17N3O/c19-17-13-6-3-8-18-9-7-11-10-4-1-2-5-12(10)16-14(11)15(13)18/h1-2,4-5,10-11,19H,3,6-9H2
InChIKeyPSMSFIJDXQDYTQ-UHFFFAOYSA-N
XLogP2.34
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine?
The IUPAC name of N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine (CID 142636548) is N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine?
The canonical SMILES for N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine is ON=C1CCCN2CCC3C(=C12)N=C1C=CC=CC13.
What is the InChIKey of N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine?
The InChIKey is PSMSFIJDXQDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-17-13-6-3-8-18-9-7-11-10-4-1-2-5-12(10)16-14(11)15(13)18/h1-2,4-5,10-11,19H,3,6-9H2.
What are the key properties of N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine?
N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine has a molecular weight of 255.32 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,7a,7b-hexahydro-2H-indolo[2,3-a]quinolizin-1-ylidene)hydroxylamine is sourced from PubChem (CID 142636548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).