N-propylazetidine-3-carboxamide

C7H14N2O — CID 58831709

IUPACN-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CNC1
InChIInChI=1S/C7H14N2O/c1-2-3-9-7(10)6-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyMBMJCPLNNKJRCT-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.27
Rot. Bonds3

About N-propylazetidine-3-carboxamide

N-propylazetidine-3-carboxamide (PubChem CID 58831709) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-propylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-propylazetidine-3-carboxamide
PubChem CID58831709
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CNC1
InChIInChI=1S/C7H14N2O/c1-2-3-9-7(10)6-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyMBMJCPLNNKJRCT-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethylazetidin-2-one
CID 544629
N-ethylazetidine-3-carboxamide
CID 65963358
N,2-dimethyl-3-(methylamino)propanamide
CID 20578861
N-methylazetidine-3-carboxamide
CID 59597796
Propanamide, N-isobutyl
CID 347479
Propanamide, 2-methyl-N-propyl
CID 528627
3-amino-N-ethyl-2,2-dimethylpropanamide
CID 61826263
Azetidine-3-carboxamide hydrochloride
CID 23051769
N-Acetyl-2-methyl-1,3-propanediamine
CID 44629783
N,N-dimethylazetidine-3-carboxamide hydrochloride
CID 53308702
3-amino-N-(2-methylpropyl)propanamide hydrochloride
CID 53409687
1-[3-(Aminomethyl)azetidin-1-yl]ethan-1-one
CID 64989017

Frequently Asked Questions

What is the IUPAC name of N-propylazetidine-3-carboxamide?
The IUPAC name of N-propylazetidine-3-carboxamide (CID 58831709) is N-propylazetidine-3-carboxamide.
What is the SMILES notation for N-propylazetidine-3-carboxamide?
The canonical SMILES for N-propylazetidine-3-carboxamide is CCCNC(=O)C1CNC1.
What is the InChIKey of N-propylazetidine-3-carboxamide?
The InChIKey is MBMJCPLNNKJRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-9-7(10)6-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of N-propylazetidine-3-carboxamide?
N-propylazetidine-3-carboxamide has a molecular weight of 142.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylazetidine-3-carboxamide is sourced from PubChem (CID 58831709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).