N-prop-2-enyl-4aH-benzo[c]chromen-9-amine

C16H15NO — CID 88768609

IUPACN-prop-2-enyl-4aH-benzo[c]chromen-9-amine
SMILESC=CCNc1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C16H15NO/c1-2-9-17-13-8-7-12-11-18-16-6-4-3-5-14(16)15(12)10-13/h2-8,10-11,16-17H,1,9H2
InChIKeyQZVIBEMYTQENRJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.70
Rot. Bonds3

About N-prop-2-enyl-4aH-benzo[c]chromen-9-amine

N-prop-2-enyl-4aH-benzo[c]chromen-9-amine (PubChem CID 88768609) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is N-prop-2-enyl-4aH-benzo[c]chromen-9-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4aH-benzo[c]chromen-9-amine
PubChem CID88768609
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC NameN-prop-2-enyl-4aH-benzo[c]chromen-9-amine
SMILESC=CCNc1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C16H15NO/c1-2-9-17-13-8-7-12-11-18-16-6-4-3-5-14(16)15(12)10-13/h2-8,10-11,16-17H,1,9H2
InChIKeyQZVIBEMYTQENRJ-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
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-prop-2-enyl-4aH-benzo[c]chromen-9-amine?
The IUPAC name of N-prop-2-enyl-4aH-benzo[c]chromen-9-amine (CID 88768609) is N-prop-2-enyl-4aH-benzo[c]chromen-9-amine.
What is the SMILES notation for N-prop-2-enyl-4aH-benzo[c]chromen-9-amine?
The canonical SMILES for N-prop-2-enyl-4aH-benzo[c]chromen-9-amine is C=CCNc1ccc2c(c1)=C1C=CC=CC1OC=2.
What is the InChIKey of N-prop-2-enyl-4aH-benzo[c]chromen-9-amine?
The InChIKey is QZVIBEMYTQENRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-9-17-13-8-7-12-11-18-16-6-4-3-5-14(16)15(12)10-13/h2-8,10-11,16-17H,1,9H2.
What are the key properties of N-prop-2-enyl-4aH-benzo[c]chromen-9-amine?
N-prop-2-enyl-4aH-benzo[c]chromen-9-amine has a molecular weight of 237.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4aH-benzo[c]chromen-9-amine is sourced from PubChem (CID 88768609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).