(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide

C12H16N2O2 — CID 110244525

IUPAC(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
SMILESC=CCNC(=O)[C@H]1C=CCN1C(=O)C1CC1
InChIInChI=1S/C12H16N2O2/c1-2-7-13-11(15)10-4-3-8-14(10)12(16)9-5-6-9/h2-4,9-10H,1,5-8H2,(H,13,15)/t10-/m1/s1
InChIKeyFLHFUHSHSUTMQN-SNVBAGLBSA-N
MW220.27 g/mol
LogP0.47
Rot. Bonds4

About (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide

(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 110244525) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID110244525
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
SMILESC=CCNC(=O)[C@H]1C=CCN1C(=O)C1CC1
InChIInChI=1S/C12H16N2O2/c1-2-7-13-11(15)10-4-3-8-14(10)12(16)9-5-6-9/h2-4,9-10H,1,5-8H2,(H,13,15)/t10-/m1/s1
InChIKeyFLHFUHSHSUTMQN-SNVBAGLBSA-N
XLogP0.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide
CID 5459671
methyl 5-(cyclopropylmethylcarbamoyl)-5-methyl-2H-pyrrole-1-carboxylate
CID 5459679
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 164642181
(2R)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548251
2-[(6Z)-9-acetamido-1-methyl-3,10-dioxo-2,5,8,9-tetrahydro-1,4-diazecin-4-yl]-N-methylacetamide
CID 134836525
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548250
1-(2-Methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
CID 18736868
N-ethyl-1-methyl-2,5-dihydropyrrole-2-carboxamide
CID 53879855
(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide
CID 59032696

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide (CID 110244525) is (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide is C=CCNC(=O)[C@H]1C=CCN1C(=O)C1CC1.
What is the InChIKey of (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is FLHFUHSHSUTMQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-7-13-11(15)10-4-3-8-14(10)12(16)9-5-6-9/h2-4,9-10H,1,5-8H2,(H,13,15)/t10-/m1/s1.
What are the key properties of (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 110244525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).