5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine

C8H13N3 — CID 130713826

IUPAC5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine
SMILESNc1ccc([C@H](N)C2CC2)[nH]1
InChIInChI=1S/C8H13N3/c9-7-4-3-6(11-7)8(10)5-1-2-5/h3-5,8,11H,1-2,9-10H2/t8-/m1/s1
InChIKeyUDCKQMSXJFYOBP-MRVPVSSYSA-N
MW151.21 g/mol
LogP1.01
Rot. Bonds2

About 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine

5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine (PubChem CID 130713826) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine
PubChem CID130713826
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine
SMILESNc1ccc([C@H](N)C2CC2)[nH]1
InChIInChI=1S/C8H13N3/c9-7-4-3-6(11-7)8(10)5-1-2-5/h3-5,8,11H,1-2,9-10H2/t8-/m1/s1
InChIKeyUDCKQMSXJFYOBP-MRVPVSSYSA-N
XLogP1.01
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine?
The IUPAC name of 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine (CID 130713826) is 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine.
What is the SMILES notation for 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine?
The canonical SMILES for 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine is Nc1ccc([C@H](N)C2CC2)[nH]1.
What is the InChIKey of 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine?
The InChIKey is UDCKQMSXJFYOBP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N3/c9-7-4-3-6(11-7)8(10)5-1-2-5/h3-5,8,11H,1-2,9-10H2/t8-/m1/s1.
What are the key properties of 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine?
5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine is sourced from PubChem (CID 130713826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).