N-propan-2-yl-3H-pyrrole-2-carboxamide

C8H12N2O — CID 58190011

IUPACN-propan-2-yl-3H-pyrrole-2-carboxamide
SMILESCC(C)NC(=O)C1=NC=CC1
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyUNYPNPBCKYKZPD-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.87
Rot. Bonds2

About N-propan-2-yl-3H-pyrrole-2-carboxamide

N-propan-2-yl-3H-pyrrole-2-carboxamide (PubChem CID 58190011) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-propan-2-yl-3H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3H-pyrrole-2-carboxamide
PubChem CID58190011
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-propan-2-yl-3H-pyrrole-2-carboxamide
SMILESCC(C)NC(=O)C1=NC=CC1
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyUNYPNPBCKYKZPD-UHFFFAOYSA-N
XLogP0.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-amino-3-prop-2-enyl-1H-pyrazin-2-one
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3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one
CID 69462013
N-propan-2-yl-3,4-dihydropyridine-3-carboxamide
CID 69528979
N-(3,4-dihydropyridin-2-ylmethyl)acetamide
CID 126633453
4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide
CID 137427804
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide
CID 143832117
(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
CID 154677754
2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide
CID 159935625
ethane;N-methylacetamide;2-methyl-3H-pyrrole
CID 161394735

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3H-pyrrole-2-carboxamide?
The IUPAC name of N-propan-2-yl-3H-pyrrole-2-carboxamide (CID 58190011) is N-propan-2-yl-3H-pyrrole-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-3H-pyrrole-2-carboxamide?
The canonical SMILES for N-propan-2-yl-3H-pyrrole-2-carboxamide is CC(C)NC(=O)C1=NC=CC1.
What is the InChIKey of N-propan-2-yl-3H-pyrrole-2-carboxamide?
The InChIKey is UNYPNPBCKYKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3,5-6H,4H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yl-3H-pyrrole-2-carboxamide?
N-propan-2-yl-3H-pyrrole-2-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3H-pyrrole-2-carboxamide is sourced from PubChem (CID 58190011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).