1H-pyrrol-2-ylcarbamic acid

C5H6N2O2 — CID 57129797

IUPAC1H-pyrrol-2-ylcarbamic acid
SMILESO=C(O)Nc1ccc[nH]1
InChIInChI=1S/C5H6N2O2/c8-5(9)7-4-2-1-3-6-4/h1-3,6-7H,(H,8,9)
InChIKeyQYUMRPJMVDQRFU-UHFFFAOYSA-N
MW126.11 g/mol
LogP1.10
Rot. Bonds1

About 1H-pyrrol-2-ylcarbamic acid

1H-pyrrol-2-ylcarbamic acid (PubChem CID 57129797) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 1H-pyrrol-2-ylcarbamic acid.

Molecular Properties

Compound Name1H-pyrrol-2-ylcarbamic acid
PubChem CID57129797
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name1H-pyrrol-2-ylcarbamic acid
SMILESO=C(O)Nc1ccc[nH]1
InChIInChI=1S/C5H6N2O2/c8-5(9)7-4-2-1-3-6-4/h1-3,6-7H,(H,8,9)
InChIKeyQYUMRPJMVDQRFU-UHFFFAOYSA-N
XLogP1.10
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-Aminopyrrole
CID 5324781
1H-pyrrolo[2,3-d]pyrimidin-2(3H)-one
CID 24888096
2-Dimethylaminopyrrole
CID 15826366
N-Methyl-1H-pyrrol-2-amine
CID 17805735
N-(1-methylpyrrol-2-yl)formamide
CID 17888963
Pyrrolylaminoacetic acid
CID 20298241
Azolyl isocyanate
CID 23062270
Ethyl 1H-pyrrol-2-ylcarbamate
CID 50742608
Pyrrolylalanine
CID 54468724
N-(1H-pyrrol-2-yl)formamide
CID 54492709
1H-pyrrol-2-ylcyanamide
CID 57061971
Acetylaminoazole
CID 57140748

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-ylcarbamic acid?
The IUPAC name of 1H-pyrrol-2-ylcarbamic acid (CID 57129797) is 1H-pyrrol-2-ylcarbamic acid.
What is the SMILES notation for 1H-pyrrol-2-ylcarbamic acid?
The canonical SMILES for 1H-pyrrol-2-ylcarbamic acid is O=C(O)Nc1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-ylcarbamic acid?
The InChIKey is QYUMRPJMVDQRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-5(9)7-4-2-1-3-6-4/h1-3,6-7H,(H,8,9).
What are the key properties of 1H-pyrrol-2-ylcarbamic acid?
1H-pyrrol-2-ylcarbamic acid has a molecular weight of 126.11 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-ylcarbamic acid is sourced from PubChem (CID 57129797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).