N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine

C9H12N2 — CID 149143025

IUPACN-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine
SMILESC=C1C=CN=C1N/C(C)=C\C
InChIInChI=1S/C9H12N2/c1-4-8(3)11-9-7(2)5-6-10-9/h4-6H,2H2,1,3H3,(H,10,11)/b8-4-
InChIKeyRIMSPJZVOAGJIP-YWEYNIOJSA-N
MW148.21 g/mol
LogP1.98
Rot. Bonds1

About N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine

N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine (PubChem CID 149143025) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine
PubChem CID149143025
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine
SMILESC=C1C=CN=C1N/C(C)=C\C
InChIInChI=1S/C9H12N2/c1-4-8(3)11-9-7(2)5-6-10-9/h4-6H,2H2,1,3H3,(H,10,11)/b8-4-
InChIKeyRIMSPJZVOAGJIP-YWEYNIOJSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
2-tert-butyl-6-methylidene-1H-pyrimidine
CID 58222482
5-Methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
CID 70640497
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
5-ethyl-3-methylidene-N-prop-1-en-2-ylpyrrol-2-amine
CID 123749804
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide
CID 129173047
3-methylidene-N-(2-methyliminoethenyl)pyrrol-2-amine
CID 132104391
(3Z)-3-ethylidene-N-(3-methylbut-1-en-2-yl)pyrrol-2-amine
CID 132170865
6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine
CID 134286809
(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine
CID 134511700
(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine
CID 136437877
3-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-2-imine
CID 136504792

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine (CID 149143025) is N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine is C=C1C=CN=C1N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine?
The InChIKey is RIMSPJZVOAGJIP-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-8(3)11-9-7(2)5-6-10-9/h4-6H,2H2,1,3H3,(H,10,11)/b8-4-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine?
N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine has a molecular weight of 148.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine is sourced from PubChem (CID 149143025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).