trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile

C8H11N — CID 101207318

IUPACtrans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile
SMILESC/C=C\[C@@H]1CC[C@H]1C#N
InChIInChI=1S/C8H11N/c1-2-3-7-4-5-8(7)6-9/h2-3,7-8H,4-5H2,1H3/b3-2-/t7-,8+/m1/s1
InChIKeyUMYMWDJCFBBOOA-ZCMHJKFASA-N
MW121.18 g/mol
LogP2.11
Rot. Bonds1

About trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile

trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile (PubChem CID 101207318) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile
PubChem CID101207318
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Nametrans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile
SMILESC/C=C\[C@@H]1CC[C@H]1C#N
InChIInChI=1S/C8H11N/c1-2-3-7-4-5-8(7)6-9/h2-3,7-8H,4-5H2,1H3/b3-2-/t7-,8+/m1/s1
InChIKeyUMYMWDJCFBBOOA-ZCMHJKFASA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
2-propan-2-ylcyclobutane-1-carbonitrile
CID 122449449
2-methylcyclobutane-1-carbonitrile
CID 105426925
cyclohexane-1,2,3,4-tetracarbonitrile
CID 87163155
[2-[(E)-prop-1-enyl]cyclobutyl]methanol
CID 130142800
2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile
CID 102254089
cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
CID 134504917
2-(hydroxymethyl)cyclobutane-1-carbonitrile
CID 13129688
cyclopentane-1,2-dicarbonitrile
CID 19807606
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
2-but-2-enoxy-4-methylcyclohexane-1-carbonitrile
CID 114998554
(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
CID 173500000

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile (CID 101207318) is trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile is C/C=C\[C@@H]1CC[C@H]1C#N.
What is the InChIKey of trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile?
The InChIKey is UMYMWDJCFBBOOA-ZCMHJKFASA-N. The full InChI is InChI=1S/C8H11N/c1-2-3-7-4-5-8(7)6-9/h2-3,7-8H,4-5H2,1H3/b3-2-/t7-,8+/m1/s1.
What are the key properties of trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile?
trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile has a molecular weight of 121.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 101207318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).