N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine

C19H19NO — CID 88756494

IUPACN,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine
SMILESC=CCN(CC=C)c1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C19H19NO/c1-3-11-20(12-4-2)16-10-9-15-14-21-19-8-6-5-7-17(19)18(15)13-16/h3-10,13-14,19H,1-2,11-12H2
InChIKeyPXOVSKOSWFHLFU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds5

About N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine

N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine (PubChem CID 88756494) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine
PubChem CID88756494
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine
SMILESC=CCN(CC=C)c1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C19H19NO/c1-3-11-20(12-4-2)16-10-9-15-14-21-19-8-6-5-7-17(19)18(15)13-16/h3-10,13-14,19H,1-2,11-12H2
InChIKeyPXOVSKOSWFHLFU-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine (CID 88756494) is N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine is C=CCN(CC=C)c1ccc2c(c1)=C1C=CC=CC1OC=2.
What is the InChIKey of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine?
The InChIKey is PXOVSKOSWFHLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-11-20(12-4-2)16-10-9-15-14-21-19-8-6-5-7-17(19)18(15)13-16/h3-10,13-14,19H,1-2,11-12H2.
What are the key properties of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine?
N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine has a molecular weight of 277.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-9-amine is sourced from PubChem (CID 88756494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).