N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine

C8H12N2 — CID 143712936

IUPACN-[(Z)-but-1-enyl]-3H-pyrrol-2-amine
SMILESCC/C=C\NC1=NC=CC1
InChIInChI=1S/C8H12N2/c1-2-3-6-9-8-5-4-7-10-8/h3-4,6-7H,2,5H2,1H3,(H,9,10)/b6-3-
InChIKeyLRKUYGFKVDBCHC-UTCJRWHESA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds2

About N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine

N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine (PubChem CID 143712936) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-3H-pyrrol-2-amine
PubChem CID143712936
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-[(Z)-but-1-enyl]-3H-pyrrol-2-amine
SMILESCC/C=C\NC1=NC=CC1
InChIInChI=1S/C8H12N2/c1-2-3-6-9-8-5-4-7-10-8/h3-4,6-7H,2,5H2,1H3,(H,9,10)/b6-3-
InChIKeyLRKUYGFKVDBCHC-UTCJRWHESA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine?
The IUPAC name of N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine (CID 143712936) is N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine?
The canonical SMILES for N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine is CC/C=C\NC1=NC=CC1.
What is the InChIKey of N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine?
The InChIKey is LRKUYGFKVDBCHC-UTCJRWHESA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-6-9-8-5-4-7-10-8/h3-4,6-7H,2,5H2,1H3,(H,9,10)/b6-3-.
What are the key properties of N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine?
N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-3H-pyrrol-2-amine is sourced from PubChem (CID 143712936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).