(4-pyrrolidin-1-ylphenyl)carbamic acid

C11H14N2O2 — CID 91209465

IUPAC(4-pyrrolidin-1-ylphenyl)carbamic acid
SMILESO=C(O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H14N2O2/c14-11(15)12-9-3-5-10(6-4-9)13-7-1-2-8-13/h3-6,12H,1-2,7-8H2,(H,14,15)
InChIKeyMXQSURPDIPQWQD-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.38
Rot. Bonds2

About (4-pyrrolidin-1-ylphenyl)carbamic acid

(4-pyrrolidin-1-ylphenyl)carbamic acid (PubChem CID 91209465) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylphenyl)carbamic acid.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylphenyl)carbamic acid
PubChem CID91209465
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(4-pyrrolidin-1-ylphenyl)carbamic acid
SMILESO=C(O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H14N2O2/c14-11(15)12-9-3-5-10(6-4-9)13-7-1-2-8-13/h3-6,12H,1-2,7-8H2,(H,14,15)
InChIKeyMXQSURPDIPQWQD-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylphenyl)carbamic acid?
The IUPAC name of (4-pyrrolidin-1-ylphenyl)carbamic acid (CID 91209465) is (4-pyrrolidin-1-ylphenyl)carbamic acid.
What is the SMILES notation for (4-pyrrolidin-1-ylphenyl)carbamic acid?
The canonical SMILES for (4-pyrrolidin-1-ylphenyl)carbamic acid is O=C(O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of (4-pyrrolidin-1-ylphenyl)carbamic acid?
The InChIKey is MXQSURPDIPQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)12-9-3-5-10(6-4-9)13-7-1-2-8-13/h3-6,12H,1-2,7-8H2,(H,14,15).
What are the key properties of (4-pyrrolidin-1-ylphenyl)carbamic acid?
(4-pyrrolidin-1-ylphenyl)carbamic acid has a molecular weight of 206.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylphenyl)carbamic acid is sourced from PubChem (CID 91209465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).