1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile

C10H13N3 — CID 116943698

IUPAC1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(N)c2ccc[nH]2)CCC1
InChIInChI=1S/C10H13N3/c11-7-10(4-2-5-10)9(12)8-3-1-6-13-8/h1,3,6,9,13H,2,4-5,12H2
InChIKeyXLTIYSWAAIQLLC-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.71
Rot. Bonds2

About 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile

1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116943698) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile
PubChem CID116943698
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(N)c2ccc[nH]2)CCC1
InChIInChI=1S/C10H13N3/c11-7-10(4-2-5-10)9(12)8-3-1-6-13-8/h1,3,6,9,13H,2,4-5,12H2
InChIKeyXLTIYSWAAIQLLC-UHFFFAOYSA-N
XLogP1.71
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile (CID 116943698) is 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile is N#CC1(C(N)c2ccc[nH]2)CCC1.
What is the InChIKey of 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is XLTIYSWAAIQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-7-10(4-2-5-10)9(12)8-3-1-6-13-8/h1,3,6,9,13H,2,4-5,12H2.
What are the key properties of 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile?
1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 175.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116943698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).