(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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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).