N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine

C19H19NO — CID 88787790

IUPACN,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine
SMILESC=CCN(CC=C)C1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C19H19NO/c1-3-12-20(13-4-2)17-10-7-11-18-19(17)16-9-6-5-8-15(16)14-21-18/h3-11,14,18H,1-2,12-13H2
InChIKeyRNUCUCPQYVXYHU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.10
Rot. Bonds5

About N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine

N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine (PubChem CID 88787790) 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-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine
PubChem CID88787790
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine
SMILESC=CCN(CC=C)C1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C19H19NO/c1-3-12-20(13-4-2)17-10-7-11-18-19(17)16-9-6-5-8-15(16)14-21-18/h3-11,14,18H,1-2,12-13H2
InChIKeyRNUCUCPQYVXYHU-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine (CID 88787790) is N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine is C=CCN(CC=C)C1=CC=CC2OC=c3ccccc3=C12.
What is the InChIKey of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine?
The InChIKey is RNUCUCPQYVXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-12-20(13-4-2)17-10-7-11-18-19(17)16-9-6-5-8-15(16)14-21-18/h3-11,14,18H,1-2,12-13H2.
What are the key properties of N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine?
N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine has a molecular weight of 277.37 g/mol, XLogP of 2.10, 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-1-amine is sourced from PubChem (CID 88787790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).