1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile

C9H11N3 — CID 164645965

IUPAC1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNn2cccc2)CC1
InChIInChI=1S/C9H11N3/c10-7-9(3-4-9)8-11-12-5-1-2-6-12/h1-2,5-6,11H,3-4,8H2
InChIKeyMOXKJRKRSHNABV-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.34
Rot. Bonds3

About 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile

1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile (PubChem CID 164645965) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile
PubChem CID164645965
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNn2cccc2)CC1
InChIInChI=1S/C9H11N3/c10-7-9(3-4-9)8-11-12-5-1-2-6-12/h1-2,5-6,11H,3-4,8H2
InChIKeyMOXKJRKRSHNABV-UHFFFAOYSA-N
XLogP1.34
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile (CID 164645965) is 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile is N#CC1(CNn2cccc2)CC1.
What is the InChIKey of 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is MOXKJRKRSHNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-7-9(3-4-9)8-11-12-5-1-2-6-12/h1-2,5-6,11H,3-4,8H2.
What are the key properties of 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile?
1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrrol-1-ylamino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164645965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).