N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide

C11H16N2O — CID 18670943

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1=CCCC=C1)N1CCC1
InChIInChI=1S/C11H16N2O/c14-11(13-7-4-8-13)12-9-10-5-2-1-3-6-10/h2,5-6H,1,3-4,7-9H2,(H,12,14)
InChIKeySESJESKYKRYXRV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds2

About N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide

N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide (PubChem CID 18670943) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide
PubChem CID18670943
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1=CCCC=C1)N1CCC1
InChIInChI=1S/C11H16N2O/c14-11(13-7-4-8-13)12-9-10-5-2-1-3-6-10/h2,5-6H,1,3-4,7-9H2,(H,12,14)
InChIKeySESJESKYKRYXRV-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide (CID 18670943) is N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide is O=C(NCC1=CCCC=C1)N1CCC1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide?
The InChIKey is SESJESKYKRYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(13-7-4-8-13)12-9-10-5-2-1-3-6-10/h2,5-6H,1,3-4,7-9H2,(H,12,14).
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide?
N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 18670943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).