(E)-1-pyrrolidin-1-ylprop-1-en-1-ol

C7H13NO — CID 135050280

IUPAC(E)-1-pyrrolidin-1-ylprop-1-en-1-ol
SMILESC/C=C(/O)N1CCCC1
InChIInChI=1S/C7H13NO/c1-2-7(9)8-5-3-4-6-8/h2,9H,3-6H2,1H3/b7-2+
InChIKeyHBHJJSDNMVPBBX-FARCUNLSSA-N
MW127.19 g/mol
LogP1.50
Rot. Bonds1

About (E)-1-pyrrolidin-1-ylprop-1-en-1-ol

(E)-1-pyrrolidin-1-ylprop-1-en-1-ol (PubChem CID 135050280) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-1-pyrrolidin-1-ylprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-pyrrolidin-1-ylprop-1-en-1-ol
PubChem CID135050280
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-1-pyrrolidin-1-ylprop-1-en-1-ol
SMILESC/C=C(/O)N1CCCC1
InChIInChI=1S/C7H13NO/c1-2-7(9)8-5-3-4-6-8/h2,9H,3-6H2,1H3/b7-2+
InChIKeyHBHJJSDNMVPBBX-FARCUNLSSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
1-prop-1-en-2-ylpiperidine
CID 12570653
1,2-di(piperidin-1-yl)ethene-1,2-diol
CID 15970102
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
3-pyrrolidin-1-ylbut-2-enoic acid
CID 54339396
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
iodomethane;piperidine-1-carboxylic acid
CID 159672368
1-[(E)-pent-2-en-3-yl]azetidine
CID 5463543
acetaldehyde;1-pyrrolidin-1-ylprop-2-en-1-one
CID 156736748
1-(3-methylbut-2-en-2-yl)pyrrolidine
CID 15569618
1-(1-chloroethenyl)pyrrolidine
CID 89278928
2-(azepan-1-yl)prop-2-enoic acid
CID 175258529

Frequently Asked Questions

What is the IUPAC name of (E)-1-pyrrolidin-1-ylprop-1-en-1-ol?
The IUPAC name of (E)-1-pyrrolidin-1-ylprop-1-en-1-ol (CID 135050280) is (E)-1-pyrrolidin-1-ylprop-1-en-1-ol.
What is the SMILES notation for (E)-1-pyrrolidin-1-ylprop-1-en-1-ol?
The canonical SMILES for (E)-1-pyrrolidin-1-ylprop-1-en-1-ol is C/C=C(/O)N1CCCC1.
What is the InChIKey of (E)-1-pyrrolidin-1-ylprop-1-en-1-ol?
The InChIKey is HBHJJSDNMVPBBX-FARCUNLSSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(9)8-5-3-4-6-8/h2,9H,3-6H2,1H3/b7-2+.
What are the key properties of (E)-1-pyrrolidin-1-ylprop-1-en-1-ol?
(E)-1-pyrrolidin-1-ylprop-1-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyrrolidin-1-ylprop-1-en-1-ol is sourced from PubChem (CID 135050280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).