N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide

C19H18N2O3 — CID 166141228

IUPACN-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c3c(cccc13)C(=O)N2C1CC(OC)C1
InChIInChI=1S/C19H18N2O3/c1-3-17(22)20-15-7-8-16-18-13(15)5-4-6-14(18)19(23)21(16)11-9-12(10-11)24-2/h3-8,11-12H,1,9-10H2,2H3,(H,20,22)
InChIKeyBBVDYUNRZLQAAQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide

N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide (PubChem CID 166141228) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide
PubChem CID166141228
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c3c(cccc13)C(=O)N2C1CC(OC)C1
InChIInChI=1S/C19H18N2O3/c1-3-17(22)20-15-7-8-16-18-13(15)5-4-6-14(18)19(23)21(16)11-9-12(10-11)24-2/h3-8,11-12H,1,9-10H2,2H3,(H,20,22)
InChIKeyBBVDYUNRZLQAAQ-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide?
The IUPAC name of N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide (CID 166141228) is N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide?
The canonical SMILES for N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c3c(cccc13)C(=O)N2C1CC(OC)C1.
What is the InChIKey of N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide?
The InChIKey is BBVDYUNRZLQAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-17(22)20-15-7-8-16-18-13(15)5-4-6-14(18)19(23)21(16)11-9-12(10-11)24-2/h3-8,11-12H,1,9-10H2,2H3,(H,20,22).
What are the key properties of N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide?
N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide has a molecular weight of 322.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxycyclobutyl)-2-oxobenzo[cd]indol-6-yl]prop-2-enamide is sourced from PubChem (CID 166141228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).