(Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide

C9H16N2O — CID 141190145

IUPAC(Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide
SMILESC/C=C(/CC1CCCN1)C(N)=O
InChIInChI=1S/C9H16N2O/c1-2-7(9(10)12)6-8-4-3-5-11-8/h2,8,11H,3-6H2,1H3,(H2,10,12)/b7-2-
InChIKeyYSBKRTHHBMSMQP-UQCOIBPSSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds3

About (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide

(Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide (PubChem CID 141190145) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide
PubChem CID141190145
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide
SMILESC/C=C(/CC1CCCN1)C(N)=O
InChIInChI=1S/C9H16N2O/c1-2-7(9(10)12)6-8-4-3-5-11-8/h2,8,11H,3-6H2,1H3,(H2,10,12)/b7-2-
InChIKeyYSBKRTHHBMSMQP-UQCOIBPSSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 44400386
4-amino-N-methylcyclopentene-1-carboxamide
CID 71746979
4-amino-N-propylcyclopentene-1-carboxamide
CID 71746980
4-amino-N-pentylcyclopentene-1-carboxamide
CID 71746981
(R,R)-(+)-Homoanatoxin A hydrochloride
CID 20056049
N-propan-2-ylcyclohexene-1-carboxamide
CID 21726912
2-Aminobutyl maleimide
CID 162540267
12-Azabicyclo[9.2.1]tetradec-1(14)-en-13-one
CID 71373515
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3,3,3-trideuteriopropan-1-one
CID 171380044
1-(8-Azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one
CID 19006324

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide?
The IUPAC name of (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide (CID 141190145) is (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide.
What is the SMILES notation for (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide?
The canonical SMILES for (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide is C/C=C(/CC1CCCN1)C(N)=O.
What is the InChIKey of (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide?
The InChIKey is YSBKRTHHBMSMQP-UQCOIBPSSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-7(9(10)12)6-8-4-3-5-11-8/h2,8,11H,3-6H2,1H3,(H2,10,12)/b7-2-.
What are the key properties of (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide?
(Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 141190145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).