3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol

C12H17NO — CID 143749630

IUPAC3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
SMILESC=Cc1[nH]cc(CCCO)c1/C=C\C
InChIInChI=1S/C12H17NO/c1-3-6-11-10(7-5-8-14)9-13-12(11)4-2/h3-4,6,9,13-14H,2,5,7-8H2,1H3/b6-3-
InChIKeyITSGZDKPTIDTFD-UTCJRWHESA-N
MW191.27 g/mol
LogP2.62
Rot. Bonds5

About 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol

3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol (PubChem CID 143749630) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
PubChem CID143749630
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
SMILESC=Cc1[nH]cc(CCCO)c1/C=C\C
InChIInChI=1S/C12H17NO/c1-3-6-11-10(7-5-8-14)9-13-12(11)4-2/h3-4,6,9,13-14H,2,5,7-8H2,1H3/b6-3-
InChIKeyITSGZDKPTIDTFD-UTCJRWHESA-N
XLogP2.62
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
CID 145421398
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 144556832
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
CID 144715193
5-(1,3-benzodioxol-5-yl)-N-[3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propyl]-1,3-thiazol-2-amine
CID 143508719
5-(1,3-benzodioxol-5-yl)-N-[3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propyl]-1,3-thiazol-2-amine;ethane
CID 143508718
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 89154188
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol (CID 143749630) is 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol is C=Cc1[nH]cc(CCCO)c1/C=C\C.
What is the InChIKey of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
The InChIKey is ITSGZDKPTIDTFD-UTCJRWHESA-N. The full InChI is InChI=1S/C12H17NO/c1-3-6-11-10(7-5-8-14)9-13-12(11)4-2/h3-4,6,9,13-14H,2,5,7-8H2,1H3/b6-3-.
What are the key properties of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 143749630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).