1-methyl-2,3-dihydropyrrol-4-amine

C5H10N2 — CID 19820661

IUPAC1-methyl-2,3-dihydropyrrol-4-amine
SMILESCN1C=C(N)CC1
InChIInChI=1S/C5H10N2/c1-7-3-2-5(6)4-7/h4H,2-3,6H2,1H3
InChIKeyZXDVEBVMRYPVRM-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.12
Rot. Bonds

About 1-methyl-2,3-dihydropyrrol-4-amine

1-methyl-2,3-dihydropyrrol-4-amine (PubChem CID 19820661) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-methyl-2,3-dihydropyrrol-4-amine.

Molecular Properties

Compound Name1-methyl-2,3-dihydropyrrol-4-amine
PubChem CID19820661
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1-methyl-2,3-dihydropyrrol-4-amine
SMILESCN1C=C(N)CC1
InChIInChI=1S/C5H10N2/c1-7-3-2-5(6)4-7/h4H,2-3,6H2,1H3
InChIKeyZXDVEBVMRYPVRM-UHFFFAOYSA-N
XLogP0.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydropyrrol-4-amine?
The IUPAC name of 1-methyl-2,3-dihydropyrrol-4-amine (CID 19820661) is 1-methyl-2,3-dihydropyrrol-4-amine.
What is the SMILES notation for 1-methyl-2,3-dihydropyrrol-4-amine?
The canonical SMILES for 1-methyl-2,3-dihydropyrrol-4-amine is CN1C=C(N)CC1.
What is the InChIKey of 1-methyl-2,3-dihydropyrrol-4-amine?
The InChIKey is ZXDVEBVMRYPVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-7-3-2-5(6)4-7/h4H,2-3,6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydropyrrol-4-amine?
1-methyl-2,3-dihydropyrrol-4-amine has a molecular weight of 98.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydropyrrol-4-amine is sourced from PubChem (CID 19820661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).